BioLiP

PDB

BioLiP

PDB CCD ID:

OAR

Number of entries in BioLiP:

Chemical formula:

C6 H16 N4 O

InChI:

InChI=1S/C6H16N4O/c7-5(4-11)2-1-3-10-6(8)9/h5,11H,1-4,7H2,(H4,8,9,10)/t5-/m0/s1

InChIKey:

UFAABHKZLQFLSG-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(CC(CO)N)CNC(=N)N
CACTVS 3.370	N[CH](CO)CCCNC(N)=N
OpenEye OEToolkits 1.7.6	[H]/N=C(/N)\NCCC[C@@H](CO)N
ACDLabs 12.01	[N@H]=C(NCCCC(N)CO)N
CACTVS 3.370	N[C@H](CO)CCCNC(N)=N

Name:

N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDINE

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).